3TUI

Inward facing conformations of the MetNI methionine ABC transporter: CY5 native crystal form

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	SSRL BEAMLINE BL12-2
Synchrotron site	SSRL
Beamline	BL12-2
Temperature [K]	100
Detector technology	CCD
Collection date	2009-08-02
Detector	MARMOSAIC 325 mm CCD
Wavelength(s)	1.000
Spacegroup name	P 1 21 1
Unit cell lengths	83.430, 140.080, 150.070
Unit cell angles	90.00, 96.39, 90.00

Refinement procedure

Resolution	29.609 - 2.900
R-factor	0.2435
Rwork	0.240
R-free	0.30290
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	3dhw
RMSD bond length	0.010
RMSD bond angle	1.469
Data reduction software	XDS
Data scaling software	SCALA (3.3.16)
Phasing software	PHASER
Refinement software	PHENIX (1.7.1_743)

Data quality characteristics

	Overall	Inner shell	Outer shell
Low resolution limit [Å]	29.608	29.608	2.850
High resolution limit [Å]	2.700	8.540	2.700
Rmerge		0.018	0.404
Number of reflections	91606
<I/σ(I)>	12.4	30.2	1.9
Completeness [%]	97.3	96.2	86.5
Redundancy	3.3	4.1	2.1

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP	7.5	293	25% v/v polyethylene glycol 400, 0.1 M tris, pH 7.5, VAPOR DIFFUSION, SITTING DROP, temperature 293K